Synthesis of Novel Mannich Bases of Indole and N-phenylaniline with its Molecular Docking, In silico Absorption, Distribution, Metabolism, and Excretion Profiling, In vitro Anti Tubercular Activity and Cytotoxicity Studies DOI Open Access

A. Patil,

Aishwarya Balap, Shailaja B. Jadhav

et al.

Asian Journal of Pharmaceutical Research and Health Care, Journal Year: 2024, Volume and Issue: 16(4), P. 419 - 431

Published: Oct. 1, 2024

A BSTRACT Background: The bacillus Mycobacterium tuberculosis (MTB) is the major reason of most infectious disease (TB). Regarding past, it has ranked higher than human immunodeficiency virus/AIDS as greatest source death from a sole contagious for past 5 years. mannich reaction condensation three molecules containing active hydrogen, an aldehyde, primary or secondary amine, and one acidic hydrogen atom. Objective: This study illustrates in silico physicochemical analysis, drug likeliness toxicity prediction, synthesis, characterization using Fourier transform infrared spectroscopy, mass spectrum, 1 H nuclear magnetic resonance techniques, antitubercular activity some new bases indole N-phenylaniline (MB1-MB24). Materials Methods: Molecular docking against target proteins (PDB ID: 5OEQ) evaluated AutoDock Vina 1.5.6. Potentially hit compounds were identified early on by virtue development modern techniques such absorption, distribution, metabolism, excretion, potential pharmacokinetic pharmacodynamic advantages disadvantages these prospective treatment prospects predicted. vitro MB9, MB18, MB24 derivatives MTB ( Mla H37Rv) was tested. Results: All designed follow Lipinski’s rule five. molecule with highest binding energy MB24. From designed, suggested to be good agents through Mycothiol S-conjugate amidase inhibitors. Compound more powerful action tested strain bacteria when . Conclusion: Using MB24, MB18 compounds, pharmacological research expected goal discovering new, intriguing, physiologically molecules.

Language: Английский

Pseudo-multicomponent reactions DOI Creative Commons
Julio C. Flores-Reyes,

Vanesa del C. Cotlame-Salinas,

Ilich A. Ibarra

et al.

RSC Advances, Journal Year: 2023, Volume and Issue: 13(24), P. 16091 - 16125

Published: Jan. 1, 2023

Pseudo-MCRs are domino-type one-pot processes that involve combinations of at least three reactants (similarly to normal MCRs) but in which one them is stoichiometrically duplicated (or more) and hence takes part into two reaction steps more).

Language: Английский

Citations

14
Humic acid: a rarely explored, robust, green catalyst for solvent-free synthesis of 4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate and benzo[d]thiazole DOI

Manishita Nandi,

Bijeta Mitra,

Pranab Ghosh

et al.

Research on Chemical Intermediates, Journal Year: 2024, Volume and Issue: 50(4), P. 1757 - 1775

Published: March 20, 2024

Language: Английский

Citations

2
Acid‐Mediated One‐Pot Three‐Component Tandem Cyclization: Access to Some New Series of Benzo[5,6]chromeno[2,3‐d]pyrimidine Derivatives DOI

Marziyeh Kayyal,

Abolfazl Olyaei, Khalil Pourshamsian

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(8)

Published: Feb. 23, 2024

Abstract An efficient one‐pot synthesis of some new series benzo[5,6]chromeno[2,3‐d]pyrimidine derivatives is reported by the three‐component condensation reaction 2,3‐dihydroxynaphthalene, 2‐thiobarbituric acid and aromatic aldehydes using sulfuric as catalyst in glacial acetic under reflux condition. This transformation apparently proceeds through Michael addition, intra‐molecular heterocyclization dehydration sequences. protocol provides cleaner profiles, good to high yields, operational simplicity, easy workup, readily accessible starting materials not requires column chromatography for isolation target products pure form.

Language: Английский

Citations

1
Multicomponent Mannich and Related Reactions DOI
Marc Presset, Erwan Le Gall

Elsevier eBooks, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

Language: Английский

Citations

0
Synthesis of Novel Mannich Bases of Indole and N-phenylaniline with its Molecular Docking, In silico Absorption, Distribution, Metabolism, and Excretion Profiling, In vitro Anti Tubercular Activity and Cytotoxicity Studies DOI Open Access

A. Patil,

Aishwarya Balap, Shailaja B. Jadhav

et al.

Asian Journal of Pharmaceutical Research and Health Care, Journal Year: 2024, Volume and Issue: 16(4), P. 419 - 431

Published: Oct. 1, 2024

A BSTRACT Background: The bacillus Mycobacterium tuberculosis (MTB) is the major reason of most infectious disease (TB). Regarding past, it has ranked higher than human immunodeficiency virus/AIDS as greatest source death from a sole contagious for past 5 years. mannich reaction condensation three molecules containing active hydrogen, an aldehyde, primary or secondary amine, and one acidic hydrogen atom. Objective: This study illustrates in silico physicochemical analysis, drug likeliness toxicity prediction, synthesis, characterization using Fourier transform infrared spectroscopy, mass spectrum, 1 H nuclear magnetic resonance techniques, antitubercular activity some new bases indole N-phenylaniline (MB1-MB24). Materials Methods: Molecular docking against target proteins (PDB ID: 5OEQ) evaluated AutoDock Vina 1.5.6. Potentially hit compounds were identified early on by virtue development modern techniques such absorption, distribution, metabolism, excretion, potential pharmacokinetic pharmacodynamic advantages disadvantages these prospective treatment prospects predicted. vitro MB9, MB18, MB24 derivatives MTB ( Mla H37Rv) was tested. Results: All designed follow Lipinski’s rule five. molecule with highest binding energy MB24. From designed, suggested to be good agents through Mycothiol S-conjugate amidase inhibitors. Compound more powerful action tested strain bacteria when . Conclusion: Using MB24, MB18 compounds, pharmacological research expected goal discovering new, intriguing, physiologically molecules.

Language: Английский

Citations

0